4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-4-yl]morpholine

C29H33N9O2 — CID 163273668

About 4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-4-yl]morpholine

4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-4-yl]morpholine (PubChem CID 163273668) has the molecular formula C29H33N9O2 and a molecular weight of 539.64 g/mol. Its IUPAC name is 4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-4-yl]morpholine.

Molecular Properties

• Compound Name: 4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-4-yl]morpholine
• PubChem CID: 163273668
• Molecular Formula: C29H33N9O2
• Molecular Weight: 539.64 g/mol
• Exact Mass: 539.28
• IUPAC Name: 4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-4-yl]morpholine
• SMILES: COc1ccncc1-c1cc2c(cnn2-c2cc3c(nc(C4CCN(C)C4)n3C)c(N3CCOCC3)n2)c(C)n1
• InChI: InChI=1S/C29H33N9O2/c1-18-20-16-31-38(23(20)13-22(32-18)21-15-30-7-5-25(21)39-4)26-14-24-27(29(33-26)37-9-11-40-12-10-37)34-28(36(24)3)19-6-8-35(2)17-19/h5,7,13-16,19H,6,8-12,17H2,1-4H3
• InChIKey: FSRZNKPYNAJNFS-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 99.25 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.64
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-4-yl]morpholine?

The IUPAC name of 4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-4-yl]morpholine (CID 163273668) is 4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-4-yl]morpholine.

What is the SMILES notation for 4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-4-yl]morpholine?

The canonical SMILES for 4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-4-yl]morpholine is COc1ccncc1-c1cc2c(cnn2-c2cc3c(nc(C4CCN(C)C4)n3C)c(N3CCOCC3)n2)c(C)n1.

What is the InChIKey of 4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-4-yl]morpholine?

The InChIKey is FSRZNKPYNAJNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N9O2/c1-18-20-16-31-38(23(20)13-22(32-18)21-15-30-7-5-25(21)39-4)26-14-24-27(29(33-26)37-9-11-40-12-10-37)34-28(36(24)3)19-6-8-35(2)17-19/h5,7,13-16,19H,6,8-12,17H2,1-4H3.

What are the key properties of 4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-4-yl]morpholine?

4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-4-yl]morpholine has a molecular weight of 539.64 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-4-yl]morpholine is sourced from PubChem (CID 163273668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).